2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid

C15H23NO4S — CID 75496479

IUPAC2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-5-15(4,14(17)18)10-16-21(19,20)13-8-6-12(7-9-13)11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyHRHOMTBKKHJOID-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.59
Rot. Bonds7

About 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid

2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid (PubChem CID 75496479) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
PubChem CID75496479
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
SMILESCCC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-5-15(4,14(17)18)10-16-21(19,20)13-8-6-12(7-9-13)11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyHRHOMTBKKHJOID-UHFFFAOYSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263423
ethane;2-methyl-2-[(4-propan-2-ylphenoxy)methyl]butanoic acid
CID 142270004
2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
CID 122071580
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid (CID 75496479) is 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid is CCC(C)(CNS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid?
The InChIKey is HRHOMTBKKHJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-15(4,14(17)18)10-16-21(19,20)13-8-6-12(7-9-13)11(2)3/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid?
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 75496479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).